Bis(p-acetylaminophenyl) Ether - ≥97% , CAS No.3070-86-8

CAS: 3070-86-8 Cat. No.: B355759 分子式: C₁₆H₁₆N₂O₃ 分子量: 284.31

GRADE & PURITY ≥97%

Synonyms

AY-30,715 | DTXSID00184733 | N-(4-(4-ACETYLAMINO-PHENOXY)-PHENYL)-ACETAMIDE | Oprea1_347362 | 4,4'-Bis(acetylamino)diphenyl ether | Paracetamol EP Impurity N | N,N-(OXYDI(4,1-PHENYLENE))DIACETAMIDE | N,N'-(Oxybis(4,1-phenylene))diacetamide | BUGCHAIWUSBYI

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AY-30,715 | DTXSID00184733 | N-(4-(4-ACETYLAMINO-PHENOXY)-PHENYL)-ACETAMIDE | Oprea1_347362 | 4,4'-Bis(acetylamino)diphenyl ether | Paracetamol EP Impurity N | N,N-(OXYDI(4,1-PHENYLENE))DIACETAMIDE | N,N'-(Oxybis(4,1-phenylene))diacetamide | BUGCHAIWUSBYI

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

504756254

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756254

カノニカル・スマイル

CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C

IUPAC Name

N-[4-(4-acetamidophenoxy)phenyl]acetamide

InChIKey

BUGCHAIWUSBYIZ-UHFFFAOYSA-N

INCHI

1S/C16H16N2O3/c1-11(19)17-13-3-7-15(8-4-13)21-16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)

異性体SMILES

CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C

分子量

284.31

Reaxy-Rn

2759295

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2759295&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Acetanilides N-acetylarylamines Phenoxy compounds Phenol ethers Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Acetanilide - Anilide - N-acetylarylamine - Phenoxy compound - Phenol ether - N-arylamide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 分子量: 284.310 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 284.116 Da
• Monoisotopic Mass: 284.116 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 323.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1